General Information of the Compound
Compound ID
CP0315040
Compound Name
8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
    Show/Hide
Synonyms
8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
CHEMBL1083441
SCHEMBL4928514
WUKFQTZVXXYEAB-UHFFFAOYSA-N
    Show/Hide
Structure
Formula
C16H23N3O4
Molecular Weight
321.377
Canonical SMILES
ONC(=O)CCCCCCCNC(=O)NC(=O)c1ccccc1
    Show/Hide
InChI
InChI=1S/C16H23N3O4/c20-14(19-23)11-7-2-1-3-8-12-17-16(22)18-15(21)13-9-5-4-6-10-13/h4-6,9-10,23H,1-3,7-8,11-12H2,(H,19,20)(H2,17,18,21,22)
    Show/Hide
InChIKey
WUKFQTZVXXYEAB-UHFFFAOYSA-N
Physicochemical Property
logP
1.972
Rotatable Bonds
9
Heavy Atom Count
23
Polar Areas
107.53
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11381650
SID: 16475526
ChEMBL ID
CHEMBL1083441
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000163 COLO 205 Homo sapiens (Human)  1
1
IC50 = 8280 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 97 nM
Clinical Information about the Compound
Drug 1 ( 8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide )
Drug Name 8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
Target(s)
Histone deacetylase 1 (HDAC1)
Inhibitor